(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine

C₆H₁₆N₄O — CID 162731451

About (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine

(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine (PubChem CID 162731451) has the molecular formula C₆H₁₆N₄O and a molecular weight of 160.22 g/mol. Its IUPAC name is (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine.

Molecular Properties

• Compound Name: (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine
• PubChem CID: 162731451
• Molecular Formula: C₆H₁₆N₄O
• Molecular Weight: 160.22 g/mol
• Exact Mass: 160.13
• IUPAC Name: (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine
• SMILES: NC/C=C(/NCCN)OCN
• InChI: InChI=1S/C6H16N4O/c7-2-1-6(11-5-9)10-4-3-8/h1,10H,2-5,7-9H2/b6-1-
• InChIKey: HMMCRGWZHUVOSV-BHQIHCQQSA-N
• XLogP: -1.73
• TPSA: 99.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	160.22
LogP ≤ 5	-1.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine?

The IUPAC name of (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine (CID 162731451) is (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine.

What is the SMILES notation for (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine?

The canonical SMILES for (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine is NC/C=C(/NCCN)OCN.

What is the InChIKey of (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine?

The InChIKey is HMMCRGWZHUVOSV-BHQIHCQQSA-N. The full InChI is InChI=1S/C6H16N4O/c7-2-1-6(11-5-9)10-4-3-8/h1,10H,2-5,7-9H2/b6-1-.

What are the key properties of (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine?

(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine has a molecular weight of 160.22 g/mol, XLogP of -1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine is sourced from PubChem (CID 162731451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162731451 — identifiers, structure, computed properties (public domain)

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